2-methylsulfanyl-5-nitro-N-pentyl-6-propan-2-yl-pyrimidin-4-amine

Systemtic Name: 2-methylsulfanyl-5-nitro-N-pentyl-6-propan-2-yl-pyrimidin-4-amine Openeye Name: 6-isopropyl-2-methylsulfanyl-5-nitro-N-pentyl-pyrimidin-4-amine CAS Name: 2-(methylthio)-5-nitro-N-pentyl-6-propan-2-yl-4-pyrimidinamine IUPAC Name: 2-methylsulfanyl-5-nitro-N-pentyl-6-propan-2-ylpyrimidin-4-amine Traditional Name: amyl-[6-isopropyl-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1[N+](=O)[O-])C(C)C)SC

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1[N+](=O)[O-])C(C)C)SC

InChI

InChI=1S/C13H22N4O2S/c1-5-6-7-8-14-12-11(17(18)19)10(9(2)3)15-13(16-12)20-4/h9H,5-8H2,1-4H3,(H,14,15,16)